orbital_charges     :real:2:4,15
  0.788831778665872E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.779420136433112E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.921688046641030E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.931790688752065E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.908431057174542E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.912127884834067E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.999164836855287E+000  0.772877604625264E+000  0.805743070298416E+000
  0.759284071287558E+000  0.103293855928791E+001  0.763503313203608E+000
  0.975962605061408E+000  0.819459836869361E+000  0.114419389075290E+001
  0.924170947655025E+000  0.105152291258387E+001  0.918188736016765E+000
  0.112624571038457E+001  0.925860454280882E+000  0.125426039319031E+001
  0.870036886165221E+000  0.115600269861283E+001  0.102024576812890E+001
  0.102778493156867E+001  0.979488126942460E+000  0.171902051502506E+001
  0.182815650738204E+001  0.149065098629951E+001  0.155154413628178E+001
  0.173238737510691E+001  0.146430924957980E+001  0.158944848056641E+001
  0.162022649561261E+001  0.132916666845275E+001  0.113338850527628E+001
  0.157675367598162E+001  0.109869186417389E+001  0.133868041971964E+001
  0.110758039183449E+001  0.173113743489744E+001  0.111963234753756E+001
forces              :real:2:3,15
 -0.562738599094904E-002 -0.426735544553297E-002 -0.448295302484201E-003
  0.551619036829735E-003  0.224505740028703E-002 -0.422250056097932E-003
 -0.130590905769429E-002  0.397318693072689E-003 -0.429238549109411E-002
 -0.162662735303913E-002  0.378688058915477E-003  0.907778795266714E-003
 -0.288315791447725E-002  0.200714833227405E-002  0.237033967235836E-002
  0.318951305266188E-003  0.304791734911708E-002 -0.232476459006177E-002
 -0.321485143182249E-001  0.114048771692492E-001  0.259073460731280E-002
 -0.624404299177360E-001 -0.103223144295034E+000 -0.125380689015505E-001
  0.297945116435355E-001  0.148335632504765E+000 -0.510118841612983E-002
 -0.367925078026315E-001 -0.112689206214297E+000  0.650861206601687E-002
 -0.377119552697495E-002 -0.568418886867931E-002  0.479375054490828E-002
  0.117036138697716E-001 -0.570953785987408E-002 -0.136465627548696E-002
  0.279074807231490E-002  0.851804186028810E-001  0.361917252550396E-002
  0.454990340419872E-001 -0.281869415077462E-001  0.104906917658944E-002
  0.559372499120220E-001  0.676331608060217E-002  0.465215164494885E-002
total_energy        :real:0:
 -0.263225172204498E+002
end_coords          :real:2:3,15
  0.410979497722133E+000 -0.505826734814898E+001  0.000000000000000E+000
  0.387902919840002E+001  0.174756757163610E+001  0.000000000000000E+000
 -0.367192845813369E+001 -0.322958139872714E+001  0.000000000000000E+000
 -0.635063205447821E+001  0.585350183866276E+000  0.000000000000000E+000
 -0.494439812925518E+001  0.314640888879182E+001  0.166126756518967E+001
 -0.494439812925518E+001  0.314640888879182E+001 -0.166126756518967E+001
  0.256426556992816E+001 -0.187932493673778E+001  0.000000000000000E+000
  0.000000000000000E+000  0.211857558524781E+001  0.000000000000000E+000
 -0.229514402271667E+001  0.579070624406228E+000  0.000000000000000E+000
 -0.205179644826341E+001 -0.196873921161339E+001  0.000000000000000E+000
 -0.478067415933069E+001  0.192836143641542E+001  0.000000000000000E+000
  0.461873975991738E+001 -0.294511905594037E+001  0.000000000000000E+000
  0.447506011355375E-001  0.444273068134114E+001  0.000000000000000E+000
  0.274221917654665E+000 -0.314875403874364E+001  0.000000000000000E+000
  0.225342265234082E+001  0.722120992015664E+000  0.188972598857892E-004
